N-[(1S,4S)-3-fluoranyl-4-phenethyloxy-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(1S,4S)-3-fluoranyl-4-phenethyloxy-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(1S,4S)-3-fluoro-4-phenethyloxy-cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(1S,4S)-3-fluoro-4-phenethyloxycyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: N-[(1S,4S)-3-fluoro-4-phenethyloxycyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(1S,4S)-3-fluoro-4-phenethyloxy-cyclohexyl]-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C19H22FN5O MolecularWeight: 355.409283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1NC2=NC=NC3=C2C=NN3)F)OCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C(C[C@H]1NC2=NC=NC3=C2C=NN3)F)OCCC4=CC=CC=C4

InChI

InChI=1S/C19H22FN5O/c20-16-10-14(24-18-15-11-23-25-19(15)22-12-21-18)6-7-17(16)26-9-8-13-4-2-1-3-5-13/h1-5,11-12,14,16-17H,6-10H2,(H2,21,22,23,24,25)/t14-,16?,17-/m0/s1